N,N,1-triethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]benzimidazole-5-sulfonamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S2/c1-4-21(5-2)30(26,27)15-8-9-17-16(13-15)20-19(22(17)6-3)29-12-11-14-7-10-18(28-14)23(24)25/h7-13H,4-6H2,1-3H3/b12-11+